8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C20H22N2O6 — CID 118732618

IUPAC8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1cc(C2=NCC(=O)Nc3c2ccc(OC)c3OC)cc(OC)c1OC
InChIInChI=1S/C20H22N2O6/c1-24-13-7-6-12-17(21-10-16(23)22-18(12)20(13)28-5)11-8-14(25-2)19(27-4)15(9-11)26-3/h6-9H,10H2,1-5H3,(H,22,23)
InChIKeyQPHGEHRLAOEFTP-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.52
Rot. Bonds6

About 8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 118732618) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID118732618
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1cc(C2=NCC(=O)Nc3c2ccc(OC)c3OC)cc(OC)c1OC
InChIInChI=1S/C20H22N2O6/c1-24-13-7-6-12-17(21-10-16(23)22-18(12)20(13)28-5)11-8-14(25-2)19(27-4)15(9-11)26-3/h6-9H,10H2,1-5H3,(H,22,23)
InChIKeyQPHGEHRLAOEFTP-UHFFFAOYSA-N
XLogP2.52
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7,8-Trimethoxy-4-methylquinolin-2(1H)-one
CID 42618032
7,8-diethoxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 9858430
2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521859
(2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
CID 68521908
8-Methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 118732615
7-Methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 118732616
9-(3,4,5-Trimethoxyphenyl)-5,7-dihydro-[1,3]dioxolo[4,5-h][1,4]benzodiazepin-6-one
CID 118732619
8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one
CID 118732620
7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one
CID 118732621
9-Hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 118732625
7-Hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 118732627
2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride
CID 127025062

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 118732618) is 8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is COc1cc(C2=NCC(=O)Nc3c2ccc(OC)c3OC)cc(OC)c1OC.
What is the InChIKey of 8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is QPHGEHRLAOEFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-24-13-7-6-12-17(21-10-16(23)22-18(12)20(13)28-5)11-8-14(25-2)19(27-4)15(9-11)26-3/h6-9H,10H2,1-5H3,(H,22,23).
What are the key properties of 8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 386.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 118732618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).